N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C26H36N4O2S — CID 60606891

IUPACN-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(C)C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)s1
InChIInChI=1S/C26H36N4O2S/c1-19-8-9-24(33-19)26(32)28-23-12-16-30(17-13-23)20(2)25(31)27-22-10-14-29(15-11-22)18-21-6-4-3-5-7-21/h3-9,20,22-23H,10-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyWZGQBYISUOLHMV-UHFFFAOYSA-N
MW468.67 g/mol
LogP3.42
Rot. Bonds7

About N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 60606891) has the molecular formula C26H36N4O2S and a molecular weight of 468.67 g/mol. Its IUPAC name is N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID60606891
Molecular FormulaC26H36N4O2S
Molecular Weight468.67 g/mol
Exact Mass468.26
IUPAC NameN-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(C)C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)s1
InChIInChI=1S/C26H36N4O2S/c1-19-8-9-24(33-19)26(32)28-23-12-16-30(17-13-23)20(2)25(31)27-22-10-14-29(15-11-22)18-21-6-4-3-5-7-21/h3-9,20,22-23H,10-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyWZGQBYISUOLHMV-UHFFFAOYSA-N
XLogP3.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 94380039
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60613965
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
CID 55525539
5-methyl-N-[1-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448351
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 60606891) is N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(C(C)C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)s1.
What is the InChIKey of N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is WZGQBYISUOLHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2S/c1-19-8-9-24(33-19)26(32)28-23-12-16-30(17-13-23)20(2)25(31)27-22-10-14-29(15-11-22)18-21-6-4-3-5-7-21/h3-9,20,22-23H,10-18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 468.67 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 60606891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).